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Ethyl 4-(4-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-(4-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
SpectraBase Compound ID 1n7HhzITeoz
InChI InChI=1S/C24H24ClN5O3S/c1-3-32-23(31)21-15(2)26-24(34)27-22(21)16-8-10-19(11-9-16)33-14-18-13-30(29-28-18)12-17-6-4-5-7-20(17)25/h4-11,13,22H,3,12,14H2,1-2H3,(H2,26,27,34)
InChIKey MOLMPHRVUHTTND-UHFFFAOYSA-N
Mol Weight 498.0 g/mol
Molecular Formula C24H24ClN5O3S
Exact Mass 497.128839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vJLJisciG5
Name Ethyl 4-(4-((1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.128838524 u
Formula C24H24ClN5O3S
InChI InChI=1S/C24H24ClN5O3S/c1-3-32-23(31)21-15(2)26-24(34)27-22(21)16-8-10-19(11-9-16)33-14-18-13-30(29-28-18)12-17-6-4-5-7-20(17)25/h4-11,13,22H,3,12,14H2,1-2H3,(H2,26,27,34)
InChIKey MOLMPHRVUHTTND-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300054
Molecular Weight 498.001 g/mol
Quality 401
SMILES N1C(NC(C(C(=O)OCC)=C1C)C=1C=CC(=CC1)OCC=1N=NN(C1)CC1=CC=CC=C1Cl)=S
SPLASH splash10-004i-1910000000-44ab86142b52e2111ca8
Source of Spectrum CBD-20-SM27-9d (DOI: 10.1002/cbdv.202300054)
Thin-Layer Chromatography 0.70 (Petroleum ether/Ethyl acetate, 0.5:1), 0.56 (Chloroform/Methanol, 1:0.05)
Wiley ID 1911306